2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol

C11H16ClNO2 — CID 84693134

IUPAC2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol
SMILESCOc1cc(C)c(C(O)CN)c(C)c1Cl
InChIInChI=1S/C11H16ClNO2/c1-6-4-9(15-3)11(12)7(2)10(6)8(14)5-13/h4,8,14H,5,13H2,1-3H3
InChIKeyMVUBONBDYYIMFK-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.96
Rot. Bonds3

About 2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol

2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol (PubChem CID 84693134) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol
PubChem CID84693134
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol
SMILESCOc1cc(C)c(C(O)CN)c(C)c1Cl
InChIInChI=1S/C11H16ClNO2/c1-6-4-9(15-3)11(12)7(2)10(6)8(14)5-13/h4,8,14H,5,13H2,1-3H3
InChIKeyMVUBONBDYYIMFK-UHFFFAOYSA-N
XLogP1.96
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol
CID 84689924
2-amino-1-(2-chloro-6-methoxy-4-methylphenyl)ethanol
CID 84784457
3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol
CID 117372422
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)propane-1,3-diol
CID 82294523
2-(2-amino-1-hydroxyethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117343844
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
CID 116937561
1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol
CID 116830252
2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol
CID 117355251
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117343845
2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol
CID 84671141
2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene
CID 22754053

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol (CID 84693134) is 2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol is COc1cc(C)c(C(O)CN)c(C)c1Cl.
What is the InChIKey of 2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol?
The InChIKey is MVUBONBDYYIMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-6-4-9(15-3)11(12)7(2)10(6)8(14)5-13/h4,8,14H,5,13H2,1-3H3.
What are the key properties of 2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol?
2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol has a molecular weight of 229.71 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol is sourced from PubChem (CID 84693134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).